CID 86703

27899-45-2

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC1(C2CCC(C2)C1CO)C

InChI

InChI=1S/C10H18O/c1-10(2)8-4-3-7(5-8)9(10)6-11/h7-9,11H,3-6H2,1-2H3

InChIKey

GICBKEFIACFATK-UHFFFAOYSA-N

Compound name

(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 154.13577 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	155.143046	137.0
[M+Na]+	177.124988	145.0
[M-H]-	153.128494	138.8
[M+NH4]+	172.169593	165.0
[M+K]+	193.098928	142.3
[M+H-H2O]+	137.133030	134.1
[M+HCOO]-	199.133971	156.6
[M+CH3COO]-	213.149621	175.8
[M+Na-2H]-	175.110436	140.3
[M]+	154.13522142	135.7
[M]-	154.13631858	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe